element(s): ['Co'] AFLOW prototype label: A_oC4_63_c Parameter names: ['a', 'b/a', 'c/a', 'y1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.4688', '2.0780541', '1.6128483', '0.3625698'] model name: MEAM_LAMMPS_KimSeolJi_2017_PtCo__MO_545073984441_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0. 0.3625698 0.25 ]] spacegroup = 63 cell = [[2.4688, 0, 0], [0, 5.1303, 0], [0, 0, 3.9818]] ========================================= Step Time Energy fmax BFGS: 0 21:37:11 -16.703504 2.294463 BFGS: 1 21:37:11 -16.805093 2.190166 BFGS: 2 21:37:11 -16.944182 2.019716 BFGS: 3 21:37:11 -17.065290 1.834575 BFGS: 4 21:37:12 -17.169245 1.634990 BFGS: 5 21:37:12 -17.257121 1.421331 BFGS: 6 21:37:12 -17.330216 1.194162 BFGS: 7 21:37:12 -17.390042 0.954396 BFGS: 8 21:37:12 -17.438343 0.703552 BFGS: 9 21:37:12 -17.477158 0.694402 BFGS: 10 21:37:12 -17.508934 0.762883 BFGS: 11 21:37:12 -17.536697 0.778576 BFGS: 12 21:37:12 -17.564206 0.754512 BFGS: 13 21:37:12 -17.596068 0.606900 BFGS: 14 21:37:13 -17.623320 0.399020 BFGS: 15 21:37:13 -17.635146 0.135331 BFGS: 16 21:37:13 -17.636335 0.046145 BFGS: 17 21:37:13 -17.636427 0.042524 BFGS: 18 21:37:13 -17.636502 0.035067 BFGS: 19 21:37:13 -17.636642 0.020579 BFGS: 20 21:37:13 -17.636779 0.019493 BFGS: 21 21:37:13 -17.636845 0.008637 BFGS: 22 21:37:13 -17.636855 0.001437 BFGS: 23 21:37:13 -17.636856 0.000173 BFGS: 24 21:37:13 -17.636856 0.000006 BFGS: 25 21:37:14 -17.636856 0.000003 BFGS: 26 21:37:14 -17.636856 0.000002 BFGS: 27 21:37:14 -17.636856 0.000002 BFGS: 28 21:37:14 -17.636856 0.000002 BFGS: 29 21:37:14 -17.636856 0.000002 BFGS: 30 21:37:14 -17.636856 0.000002 BFGS: 31 21:37:14 -17.636856 0.000002 BFGS: 32 21:37:14 -17.636856 0.000002 BFGS: 33 21:37:14 -17.636856 0.000002 BFGS: 34 21:37:14 -17.636856 0.000001 BFGS: 35 21:37:15 -17.636856 0.000001 BFGS: 36 21:37:15 -17.636856 0.000001 BFGS: 37 21:37:15 -17.636856 0.000001 BFGS: 38 21:37:15 -17.636856 0.000001 BFGS: 39 21:37:15 -17.636856 0.000001 BFGS: 40 21:37:15 -17.636856 0.000001 BFGS: 41 21:37:15 -17.636856 0.000001 BFGS: 42 21:37:15 -17.636856 0.000001 BFGS: 43 21:37:15 -17.636856 0.000001 BFGS: 44 21:37:15 -17.636856 0.000001 BFGS: 45 21:37:15 -17.636856 0.000001 BFGS: 46 21:37:16 -17.636856 0.000001 BFGS: 47 21:37:16 -17.636856 0.000001 BFGS: 48 21:37:16 -17.636856 0.000001 BFGS: 49 21:37:16 -17.636856 0.000001 BFGS: 50 21:37:16 -17.636856 0.000000 BFGS: 51 21:37:16 -17.636856 0.000000 BFGS: 52 21:37:16 -17.636856 0.000000 BFGS: 53 21:37:16 -17.636856 0.000000 BFGS: 54 21:37:16 -17.636856 0.000000 BFGS: 55 21:37:17 -17.636856 0.000000 BFGS: 56 21:37:17 -17.636856 0.000000 BFGS: 57 21:37:17 -17.636856 0.000000 BFGS: 58 21:37:17 -17.636856 0.000000 BFGS: 59 21:37:17 -17.636856 0.000000 BFGS: 60 21:37:17 -17.636856 0.000000 BFGS: 61 21:37:17 -17.636856 0.000000 BFGS: 62 21:37:17 -17.636856 0.000000 BFGS: 63 21:37:17 -17.636856 0.000000 BFGS: 64 21:37:17 -17.636856 0.000000 BFGS: 65 21:37:18 -17.636856 0.000000 BFGS: 66 21:37:18 -17.636856 0.000000 BFGS: 67 21:37:18 -17.636856 0.000000 BFGS: 68 21:37:18 -17.636856 0.000000 BFGS: 69 21:37:18 -17.636856 0.000000 BFGS: 70 21:37:18 -17.636856 0.000000 BFGS: 71 21:37:18 -17.636856 0.000000 BFGS: 72 21:37:18 -17.636856 0.000000 BFGS: 73 21:37:18 -17.636856 0.000000 BFGS: 74 21:37:18 -17.636856 0.000000 BFGS: 75 21:37:19 -17.636856 0.000000 BFGS: 76 21:37:19 -17.636856 0.000000 BFGS: 77 21:37:19 -17.636856 0.000000 BFGS: 78 21:37:19 -17.636856 0.000000 BFGS: 79 21:37:19 -17.636856 0.000000 BFGS: 80 21:37:19 -17.636856 0.000000 BFGS: 81 21:37:19 -17.636856 0.000000 BFGS: 82 21:37:19 -17.636856 0.000000 BFGS: 83 21:37:19 -17.636856 0.000000 BFGS: 84 21:37:20 -17.636856 0.000000 BFGS: 85 21:37:20 -17.636856 0.000000 BFGS: 86 21:37:20 -17.636856 0.000000 BFGS: 87 21:37:20 -17.636856 0.000000 BFGS: 88 21:37:20 -17.636856 0.000000 BFGS: 89 21:37:20 -17.636856 0.000000 BFGS: 90 21:37:20 -17.636856 0.000000 BFGS: 91 21:37:20 -17.636856 0.000000 BFGS: 92 21:37:20 -17.636856 0.000000 BFGS: 93 21:37:21 -17.636856 0.000000 BFGS: 94 21:37:21 -17.636856 0.000000 BFGS: 95 21:37:21 -17.636856 0.000000 BFGS: 96 21:37:21 -17.636856 0.000000 BFGS: 97 21:37:21 -17.636856 0.000000 BFGS: 98 21:37:21 -17.636856 0.000000 BFGS: 99 21:37:21 -17.636856 0.000000 BFGS: 100 21:37:21 -17.636856 0.000000 BFGS: 101 21:37:21 -17.636856 0.000000 BFGS: 102 21:37:22 -17.636856 0.000000 BFGS: 103 21:37:22 -17.636856 0.000000 BFGS: 104 21:37:22 -17.636856 0.000000 BFGS: 105 21:37:22 -17.636856 0.000000 BFGS: 106 21:37:22 -17.636856 0.000000 BFGS: 107 21:37:22 -17.636856 0.000000 BFGS: 108 21:37:22 -17.636856 0.000000 BFGS: 109 21:37:22 -17.636856 0.000000 Minimization converged after 109 steps. Maximum force component: 1.1208791781455035e-08 eV/Angstrom Maximum stress component: 8.955180279920543e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 3.33333333e-01 2.50000000e-01] [1.01566279e-36 6.66666667e-01 7.50000000e-01] [5.00000000e-01 8.33333333e-01 2.50000000e-01] [5.00000000e-01 1.66666667e-01 7.50000000e-01]] cellpar = Cell([[2.5023088960470634, -1.5300151481694347e-36, 0.0], [-1.7709570914979692e-36, 4.334126148115226, 0.0], [0.0, 0.0, 4.075717421048244]]) forces = [[-4.57999805e-45 1.12087918e-08 0.00000000e+00] [ 4.57999805e-45 -1.12087918e-08 0.00000000e+00] [-3.85541731e-33 1.12087918e-08 0.00000000e+00] [ 4.57999805e-45 -1.12087918e-08 0.00000000e+00]] stress = [-8.95518028e-10 6.20013583e-10 1.93155490e-10 0.00000000e+00 0.00000000e+00 -2.84130595e-34] energy per atom = -4.409213994265153 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.